Undecanoic acid, 11-fluoro-, ethyl ester
Basic information
- CAS
332-98-9- Standard SMILES
CCOC(=O)CCCCCCCCCCF- InChIKey
ZVUDVNKAIMHDLN-UHFFFAOYSA-N- Molecular formula
- C13H25FO2
- Average molar mass
- 232.33 g/mol
- Monoisotopic mass
- 232.1838582
Names & identifiers
- Preferred name
- Undecanoic acid, 11-fluoro-, ethyl ester
- IUPAC
- ethyl 11-fluoroundecanoate
- English name
- 11-Fluoroundecanoic acid ethyl ester
- Molecular formula
- C13H25FO2
- Molecular weight
- 232.33
Names & synonyms
ethyl 11-fluoroundecanoate332-98-9Undecanoic acid, 11-fluoro-, ethyl ester3,4-Ddu11-Fluoroundecanoic acid ethyl esterEthyl 11-fluorundecanoateBRN 1773955DTXSID40186852
Database identifiers
- CAS
332-98-9- PubChem CID
- 67624
- DTXSID
DTXSID40186852- Nikkaji
- J49.014H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 140 · 140-141 °C(Press: 11 Torr)
- Density
- 0.921 · 0.921±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…